CID 146684930
Microginin 729
Structural Information
- Molecular Formula
- C37H55N5O10
- SMILES
- CCCCCCCC(C(C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)O)N
- InChI
- InChI=1S/C37H55N5O10/c1-5-6-7-8-9-10-27(38)32(46)35(49)40-29(21-43)33(47)41-31(22(2)3)36(50)42(4)30(20-24-13-17-26(45)18-14-24)34(48)39-28(37(51)52)19-23-11-15-25(44)16-12-23/h11-18,22,27-32,43-46H,5-10,19-21,38H2,1-4H3,(H,39,48)(H,40,49)(H,41,47)(H,51,52)
- InChIKey
- XSFWUQAXHYZUPF-UHFFFAOYSA-N
- Compound name
- 2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 730.40218 | 264.5 |
[M+Na]+ | 752.38412 | 265.2 |
[M-H]- | 728.38762 | 269.4 |
[M+NH4]+ | 747.42872 | 267.8 |
[M+K]+ | 768.35806 | 258.7 |
[M+H-H2O]+ | 712.39216 | 242.9 |
[M+HCOO]- | 774.39310 | 268.6 |
[M+CH3COO]- | 788.40875 | 295.5 |
[M+Na-2H]- | 750.36957 | 300.4 |
[M]+ | 729.39435 | 303.7 |
[M]- | 729.39545 | 303.7 |
Literature stripe
Patent stripe
No patent data available for this compound.